(2R)-5-methyliminopent-3-ene-2,3-diamine

C6H13N3 — CID 165110355

IUPAC(2R)-5-methyliminopent-3-ene-2,3-diamine
SMILESC/N=C/C=C(N)[C@@H](C)N
InChIInChI=1S/C6H13N3/c1-5(7)6(8)3-4-9-2/h3-5H,7-8H2,1-2H3/b6-3?,9-4+/t5-/m1/s1
InChIKeyZHAWFCDOWBVIGW-GMWPWGCJSA-N
MW127.19 g/mol
LogP-0.12
Rot. Bonds2

About (2R)-5-methyliminopent-3-ene-2,3-diamine

(2R)-5-methyliminopent-3-ene-2,3-diamine (PubChem CID 165110355) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (2R)-5-methyliminopent-3-ene-2,3-diamine.

Molecular Properties

Compound Name(2R)-5-methyliminopent-3-ene-2,3-diamine
PubChem CID165110355
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(2R)-5-methyliminopent-3-ene-2,3-diamine
SMILESC/N=C/C=C(N)[C@@H](C)N
InChIInChI=1S/C6H13N3/c1-5(7)6(8)3-4-9-2/h3-5H,7-8H2,1-2H3/b6-3?,9-4+/t5-/m1/s1
InChIKeyZHAWFCDOWBVIGW-GMWPWGCJSA-N
XLogP-0.12
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyliminopent-3-ene-2,3-diamine?
The IUPAC name of (2R)-5-methyliminopent-3-ene-2,3-diamine (CID 165110355) is (2R)-5-methyliminopent-3-ene-2,3-diamine.
What is the SMILES notation for (2R)-5-methyliminopent-3-ene-2,3-diamine?
The canonical SMILES for (2R)-5-methyliminopent-3-ene-2,3-diamine is C/N=C/C=C(N)[C@@H](C)N.
What is the InChIKey of (2R)-5-methyliminopent-3-ene-2,3-diamine?
The InChIKey is ZHAWFCDOWBVIGW-GMWPWGCJSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)6(8)3-4-9-2/h3-5H,7-8H2,1-2H3/b6-3?,9-4+/t5-/m1/s1.
What are the key properties of (2R)-5-methyliminopent-3-ene-2,3-diamine?
(2R)-5-methyliminopent-3-ene-2,3-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyliminopent-3-ene-2,3-diamine is sourced from PubChem (CID 165110355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).